SCHEMBL784764

SCHEMBL784764

CNC1CCN(c2ccc(N(C)C)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCAT P04180 1/20 0.41
HRH4 Q9H3N8 11/20 0.41
HPGDS O60760 1/20 0.40
CDK4 P11802 5/20 0.40
CDK6 Q00534 3/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20255284 0.81 HRH4 (0.45) HRH4CDK4CDK6ROCK2ROCK1
SCHEMBL18664802 0.81 HRH3 (0.43) LCATHRH4HPGDS
SCHEMBL23114605 0.79 HRH4 (0.49) HRH4CDK4CDK6ROCK2ROCK1
SCHEMBL20038446 0.79 HRH4 (0.43) HRH4CDK4CDK6ROCK2ROCK1
SCHEMBL25650084 0.79 CDK4 (0.50) HRH4CDK4CDK6
SCHEMBL20037607 0.79 HRH4 (0.46) HRH4CDK4CDK6ROCK2ROCK1
SCHEMBL784743 0.78 EED (0.52) HRH4
SCHEMBL16769754 0.77 LCAT (0.45) LCATHPGDS
SCHEMBL785009 0.77 CHRNB2 (0.56) LCATHRH4
SCHEMBL21479291 0.77 HRH4 (0.46) HRH4CDK4CDK6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 LCAT 3500/4885HRH4 5/4885HPGDS 470/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.